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Concept information

Preferred term

tg(16:1(9z)/16:0/18:3(9z,12z,15z))[iso6]  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C53H94O6

inchi

  • InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25-26,50H,4-6,8-9,11-15,17-18,21-22,24,27-49H2,1-3H3/b10-7-,19-16-,23-20-,26-25-/t50-/m1/s1

inchikey

  • LCCSSJALYOQLAY-PXKDUDJKSA-N

mass

  • 827.312

monoisotopicmass

  • 826.70504

smiles

  • C([C@@](COC(CCCCCCC/C=C/CCCCCC)=O)(OC(CCCCCCCCCCCCCCC)=O)[H])OC(CCCCCCC/C=C/C/C=C/C/C=C/CC)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89021

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